Reaction Details Report a problem with these data
Target
11-beta-hydroxysteroid dehydrogenase 1
Ligand
BDBM50334702
Substrate
n/a
Meas. Tech.
ChEMBL_699259 (CHEMBL1647079)
IC50
683±n/a nM
Citation
 Kwon, SW; Kang, SK; Lee, JH; Bok, JH; Kim, CH; Dal Rhee, S; Jung, WH; Kim, HY; Bae, MA; Song, JS; Ha, DC; Cheon, HG; Kim, KY; Ahn, JH Synthesis and 11ß hydroxysteroid dehydrogenase 1 inhibition of thiazolidine derivatives with an adamantyl group. Bioorg Med Chem Lett 21:435-9 (2010) [PubMed]  Article 
Target
Name:
11-beta-hydroxysteroid dehydrogenase 1
Synonyms:
11-DH | 11-beta-HSD1 | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | 11-beta-hydroxysteroid dehydrogenase | 11-beta-hydroxysteroid dehydrogenase 1 (11HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11beta-HSD1) | DHI1_HUMAN | HSD11 | HSD11B1 | HSD11L | SDR26C1
Type:
Enzyme
Mol. Mass.:
32409.16
Organism:
Homo sapiens (Human)
Description:
P28845
Residue:
292
Sequence:
MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHVVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVAAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEECALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
  
Inhibitor
Name:
BDBM50334702
Synonyms:
3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-carboxylic acid(5-hydroxy-adamantan-2-yl)-amide | CHEMBL1642616
Type:
Small organic molecule
Emp. Form.:
C20H24Cl2N2O4S2
Mol. Mass.:
491.452
SMILES:
OC12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2 |TLB:8:7:29.6.1:4.3.28,8:7:28:29.1.2,6:1:7.5.4:28,THB:6:5:28:29.1.2,2:1:7:4.3.28,2:3:7:29.6.1,0:1:7:4.3.28,0:1:7.5.4:28,(20.18,-30.52,;18.64,-30.58,;18.65,-29.05,;17.26,-28.47,;16.22,-29.71,;16.22,-31.29,;17.63,-31.86,;14.72,-31.71,;13.39,-30.95,;12.05,-31.72,;10.72,-30.95,;12.06,-33.26,;13.3,-34.17,;12.83,-35.63,;11.29,-35.63,;10.81,-34.17,;9.47,-33.42,;8.69,-32.08,;10.23,-32.08,;8.15,-34.21,;8.18,-35.74,;6.86,-36.53,;5.51,-35.78,;4.19,-36.58,;5.48,-34.24,;4.14,-33.49,;6.8,-33.45,;15.92,-30.44,;15.91,-28.95,;17.25,-30.93,)|
Structure:
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